SCWRL3.0 is the most recent version of the SCWRL program for prediction of protein side-chain conformations. SCWRL3.0 is based on an algorithm based on graph theory that solves the combinatorial problem in side-chain prediction more rapidly than many other available program. SCWRL3.0 is more accurate than previous versions of SCWRL, while the graph theory algorithm will allow for development of more sophisticated energy functions and for incorporation of side-chain flexibility around rotameric positions. The SCWRL3 paper has been published by Protein Science. A reprint is available. Please cite the paper: A. A. Canutescu, A. A. Shelenkov, and R. L. Dunbrack, Jr. A graph theory algorithm for protein side-chain prediction. Protein Science 12, 2001-2014 (2003). Please add this to portage. thanks Saurabh
i would also like to see this in portage. i could create an ebuild, but unfortionaly the author does not answer my request for the program.
for the moment, till the author answers, we could just have it manual download (F) so that ebuild can also exist, and that there are no problems. Saurabh (In reply to comment #1) > i would also like to see this in portage. i could create an ebuild, but > unfortionaly the author does not answer my request for the program. >
No progress here for over 1 year, closing WONTFIX. Feel free to reopen with an ebuild.
